more general categories
information about this item
03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
dihydroergotamine mesylate [CHEBI:59756] (1)
dihydroergotamine mesylate [CHEBI:59756] (1)
05. Industrial Uses
05. Industrial Uses
dihydroergotamine mesylate [CHEBI:59756] (1)
08. Chemical Category
08. Chemical Category
dihydroergotamine mesylate [CHEBI:59756] (1)
dihydroergotamine mesylate [CHEBI:59756] (1)
dihydroergotamine mesylate [CHEBI:59756] (1)
dihydroergotamine mesylate [CHEBI:59756] (1)
ChEBI Compound Accession Identifier :
[CHEBI:59756]
ChEBI Compound Description :
The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension.
ChEBI Compound Identification Number :
59756
ChEBI InChI Value :
"InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1"
ChEBI InChIKey Value :
ADYPXRFPBQGGAH-UMYZUSPBSA-N
ChEBI Compound Name :
dihydroergotamine mesylate
ChEBI SMILES Value :
CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O
ChEBI Substance ID :
99319616
ChEBI URL :
ChEBI:59756
ChemSpider ID :
64311
Ontomatica Chemical Accession Key (OnChAKey) :
ADYPXRFPBQGGAH_UMYZUSPBSA_N_000_000000
PubChem Compound ID :
71171